fireball
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision Next revision | Previous revision | ||
|
fireball [2014/07/08 11:37] prokop |
fireball [2020/05/25 16:46] (current) dani [Tutorials] |
||
|---|---|---|---|
| Line 1: | Line 1: | ||
| ===== Introduction ===== | ===== Introduction ===== | ||
| - | A project ''FireballTG'' is a branch version of a simulation package [[http://www.fireball-dft.org|Fireball]]. ''FireballTG'' provides several differences with respect to the original Fireball code. | + | A project ''FireballTG'' is a branch version of a simulation package [[http://www.fireball-dft.org|Fireball]]. ''FireballTG'' provides several differences with respect to the original Fireball code. It can be obtained from [[https://github.com/fireball-QMD/progs/]]. |
| Line 51: | Line 51: | ||
| - [[Si111: surface relaxation|Structure optimization]] | - [[Si111: surface relaxation|Structure optimization]] | ||
| - [[Si111: surface electronic structure| Band structure]] | - [[Si111: surface electronic structure| Band structure]] | ||
| + | - Surface: Cu(111)-(1x1) | ||
| + | - [[Cu bulk structure optimization]] | ||
| + | - [[Cu 111 surface and k-points sampling]] | ||
| - Others | - Others | ||
| - [[Calculate real-space electronic density]] | - [[Calculate real-space electronic density]] | ||
| Line 74: | Line 77: | ||
| - [[Constrain DFT]] | - [[Constrain DFT]] | ||
| - [[Calculate U-function]] | - [[Calculate U-function]] | ||
| + | - [[Calculate e-ph coupling]] | ||
| + | - [[MDET]] | ||
| + | - Development ( Not in official version ) | ||
| + | - [[Absorbtion spectra by Fermi golden Rule]] | ||
| + | - [[Band structure of nanocrystals]] | ||
| + | - [[Number of accessible atoms for electronic state]] | ||
| + | - Development Fireball & Amber | ||
| + | - [[Fireball 20.05 & AmberTools 20]] | ||
| + | - [[Fireball 19.11 & AmberTools 18]] | ||
| + | - [[Fireball 18.02 & AmberTools 17]] | ||
| ===== Results ===== | ===== Results ===== | ||
fireball.1404812261.txt.gz ยท Last modified: 2014/07/08 11:37 (external edit)
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Noncommercial-Share Alike 4.0 International
